Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13271102 | 0.89 | CNR2 (0.40) | CNR2GAAPOLBFFAR2CNR1 | |
| SCHEMBL25460880 | 0.79 | CA12 (0.40) | HCAR1GABRA1GABRB2GAAMEN1 | |
| SCHEMBL13363407 | 0.74 | FFAR2 (0.50) | CNR2POLBFFAR2KDM4EMEN1 | |
| SCHEMBL16117689 | 0.73 | GABRA1 (0.68) | HCAR1GABRA1GABRB2CNR2GAA | |
| SCHEMBL1869889 | 0.71 | CNR2 (0.51) | CNR2GAAMEN1HTTKMT2A | |
| SCHEMBL5788966 | 0.71 | MAPT (0.55) | GAAKDM4EHTT | |
| SCHEMBL25460811 | 0.71 | SLC6A3 (0.40) | GAAFFAR2MEN1HTTKMT2A | |
| SCHEMBL30443832 | 0.70 | TSHR (0.44) | POLBKDM4EKMT2AHCRTR1HCRTR2 | |
| SCHEMBL1203024 | 0.67 | CNR2 (0.42) | CNR2GAAPOLBMEN1KMT2A | |
| SCHEMBL1873646 | 0.67 | AKR1C3 (0.56) | CNR2GAAMEN1KMT2ACNR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | disclosed |